1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol

C17H27BrN2O — CID 62612332

IUPAC1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
SMILESCCCNC(CCN1CCC(O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O/c1-2-10-19-17(14-3-5-15(18)6-4-14)9-13-20-11-7-16(21)8-12-20/h3-6,16-17,19,21H,2,7-13H2,1H3
InChIKeyXDGIOCSIDVZVQY-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.34
Rot. Bonds7

About 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol

1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol (PubChem CID 62612332) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
PubChem CID62612332
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
SMILESCCCNC(CCN1CCC(O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O/c1-2-10-19-17(14-3-5-15(18)6-4-14)9-13-20-11-7-16(21)8-12-20/h3-6,16-17,19,21H,2,7-13H2,1H3
InChIKeyXDGIOCSIDVZVQY-UHFFFAOYSA-N
XLogP3.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62630911
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093
1-(4-fluorophenyl)-3-morpholin-4-yl-N-propylpropan-1-amine
CID 62643389
1-(4-bromo-2-chlorophenyl)-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82779326
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol (CID 62612332) is 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol is CCCNC(CCN1CCC(O)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol?
The InChIKey is XDGIOCSIDVZVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-2-10-19-17(14-3-5-15(18)6-4-14)9-13-20-11-7-16(21)8-12-20/h3-6,16-17,19,21H,2,7-13H2,1H3.
What are the key properties of 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol?
1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol has a molecular weight of 355.32 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 62612332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).